Crystallography Open Database

Information card for entry 7127845

Preview

Coordinates	7127845.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H90 Al10 O40
Calculated formula	C39.6667 H89 Al10 O40
Title of publication	Aluminium nanorings: configuration deformation and structural transformation.
Authors of publication	Geng, Lin; Li, Qiao-Hong; Wang, San-Tai; Liu, Ya-Jie; Fang, Wei-Hui; Zhang, Jian
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	16
Pages of publication	2085 - 2088
a	8.6547 ± 0.0001 Å
b	44.2025 ± 0.0006 Å
c	28.0556 ± 0.0004 Å
α	90°
β	107.322 ± 0.001°
γ	90°
Cell volume	10246.2 ± 0.2 Å³
Cell temperature	120.01 ± 0.1 K
Ambient diffraction temperature	120.01 ± 0.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0657
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1437
Weighted residual factors for all reflections included in the refinement	0.147
Goodness-of-fit parameter for all reflections included in the refinement	1.151
Diffraction radiation wavelength	1.3405 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
262482 (current)	2021-03-05	cif/ Updating files of 7127841, 7127842, 7127843, 7127844, 7127845, 7127846, 7127847 Original log message: Adding full bibliography for 7127841--7127847.cif.	7127845.cif
261174	2021-01-24	cif/ Adding structures of 7127841, 7127842, 7127843, 7127844, 7127845, 7127846, 7127847 via cif-deposit CGI script.	7127845.cif